⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8179755 | 0.91 | ADRB3 (0.31) | — | |
| SCHEMBL13798270 | 0.91 | ADRB3 (0.34) | — | |
| SCHEMBL3469693 | 0.89 | ADRB3 (0.32) | — | |
| SCHEMBL3469691 | 0.89 | ADRB3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL3471769 | 0.86 | CTSB (0.32) | — | |
| Hydrochloric Acid SCHEMBL3471776 | 0.86 | CTSB (0.32) | — | |
| SCHEMBL12844500 | 0.84 | ADRB3 (0.34) | — | |
| SCHEMBL7868212 | 0.84 | ADRB3 (0.34) | — | |
| SCHEMBL8238244 | 0.84 | — | — | |
| SCHEMBL13811432 | 0.83 | ADRB3 (0.37) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008137779-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2008-11-13 | — | — | WO | disclosed |